7EXT
 
 | | Cryo-EM structure of cyanobacterial phycobilisome from Synechococcus sp. PCC 7002 | | Descriptor: | Allophycocyanin alpha subunit, Allophycocyanin beta subunit, Allophycocyanin subunit alpha-B, ... | | Authors: | Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N. | | Deposit date: | 2021-05-28 | | Release date: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
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7EYD
 | | Cryo-EM structure of cyanobacterial phycobilisome from Anabaena sp. PCC 7120 | | Descriptor: | Allophycocyanin subunit alpha 1, Allophycocyanin subunit alpha-B, Allophycocyanin subunit beta, ... | | Authors: | Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N. | | Deposit date: | 2021-05-30 | | Release date: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
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4FH7
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 20% methanol | | Descriptor: | 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, METHANOL, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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4FH6
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO | | Descriptor: | 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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4U5T
 | | Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid | | Descriptor: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper | | Authors: | Stagno, J.R, Ji, X. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
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8E4A
 | | Pseudomonas LpxC in complex with LPC-233 | | Descriptor: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Najeeb, J, Zhou, P. | | Deposit date: | 2022-08-17 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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6TYY
 | | Hedgehog autoprocessing mutant D46H | | Descriptor: | Protein hedgehog | | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
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6EBU
 | | Crystal structure of Aquifex aeolicus LpxE | | Descriptor: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Wu, Q, Wang, S, Zhou, P. | | Deposit date: | 2018-08-07 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
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6GMI
 | | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm. | | Descriptor: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | | Authors: | Rebelein, J.G. | | Deposit date: | 2018-05-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
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3RDH
 | | X-ray induced covalent inhibition of 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | | Deposit date: | 2011-04-01 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5UFK
 | | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila | | Descriptor: | GLYCEROL, effector protein SidK | | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2017-01-04 | | Release date: | 2017-05-10 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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5UF5
 | | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer) | | Descriptor: | GLYCEROL, effector protein SidK | | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2017-01-03 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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3H59
 | | Hepatitis C virus polymerase NS5B with thiazine inhibitor 2 | | Descriptor: | N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Ghate, M. | | Deposit date: | 2009-04-21 | | Release date: | 2009-09-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009
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3H2L
 | | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | | Descriptor: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | | Authors: | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | | Deposit date: | 2009-04-14 | | Release date: | 2009-12-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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8RC0
 | | Structure of the human 20S U5 snRNP | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schneider, S, Galej, W.P. | | Deposit date: | 2023-12-05 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human 20S U5 snRNP.
Nat.Struct.Mol.Biol., 31, 2024
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8ZC6
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6.85 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC1
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | Descriptor: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8T5K
 | | Crystal structure of STING CTD in complex with BDW-OH | | Descriptor: | Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid | | Authors: | Li, Y, Li, P, Sun, D. | | Deposit date: | 2023-06-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
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8T5L
 | | Crystal structure of STING CTD in complex with 2'3'-cGAMP | | Descriptor: | Stimulator of interferon genes protein, cGAMP | | Authors: | Li, Y, Li, P, Sun, D. | | Deposit date: | 2023-06-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
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5DRO
 | | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRP
 | | Structure of the AaLpxC/LPC-023 Complex | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRR
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5VYY
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3CDE
 | | Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-02-26 | | Release date: | 2009-03-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
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5K8K
 | | Structure of the Haemophilus influenzae LpxH-lipid X complex | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, ACETATE ION, GLYCEROL, ... | | Authors: | Cho, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2016-05-30 | | Release date: | 2016-08-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
Nat Microbiol, 1, 2016
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